UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

23362720
23362720
5200145
5200145
5200147
5200147
5200149
5200149
5200152
5200152

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.03 11.05 -25.8 1 8 0 104 403.508 7
Mid Mid (pH 6-8) 4.10 10.15 -46.03 0 8 -1 110 402.5 7

Analogs

5200145
5200145
5200147
5200147
5200149
5200149
5200152
5200152

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.03 11.03 -25.8 1 8 0 104 403.508 7
Mid Mid (pH 6-8) 4.10 10.13 -46 0 8 -1 110 402.5 7

Analogs

5866747
5866747
23362717
23362717
23362720
23362720
39478238
39478238
42047875
42047875

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 10.35 -21.57 1 8 0 104 375.454 5

Analogs

5866747
5866747
23362717
23362717
23362720
23362720
39478238
39478238
42047875
42047875

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 10.34 -21.53 1 8 0 104 375.454 5

Parameters Provided:

ring.id = 139731
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 139731 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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